2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone

C12H8Cl2O2S — CID 60625907

IUPAC2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C12H8Cl2O2S/c13-8-3-4-11(9(14)6-8)16-7-10(15)12-2-1-5-17-12/h1-6H,7H2
InChIKeyCWZXMGGOSJQWER-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.32
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone

2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone (PubChem CID 60625907) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
PubChem CID60625907
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C12H8Cl2O2S/c13-8-3-4-11(9(14)6-8)16-7-10(15)12-2-1-5-17-12/h1-6H,7H2
InChIKeyCWZXMGGOSJQWER-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 63567788
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 4077360
[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
CID 2903284
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
CID 60625178
2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
CID 64643112
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
3-(thiophene-2-carbonylamino)propyl 4-(2,4-dichlorophenoxy)butanoate
CID 84559146

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone (CID 60625907) is 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone is O=C(COc1ccc(Cl)cc1Cl)c1cccs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone?
The InChIKey is CWZXMGGOSJQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c13-8-3-4-11(9(14)6-8)16-7-10(15)12-2-1-5-17-12/h1-6H,7H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone?
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone has a molecular weight of 287.17 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 60625907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).